N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide

C20H21F3N2O3 — CID 139347840

IUPACN-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)Cc2ccc(C(F)(F)F)cc2O)c1
InChIInChI=1S/C20H21F3N2O3/c1-19(2,3)25-18(28)13-5-4-6-15(9-13)24-17(27)10-12-7-8-14(11-16(12)26)20(21,22)23/h4-9,11,26H,10H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXWUXJSIESYEASY-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.12
Rot. Bonds4

About N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide

N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide (PubChem CID 139347840) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
PubChem CID139347840
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)Cc2ccc(C(F)(F)F)cc2O)c1
InChIInChI=1S/C20H21F3N2O3/c1-19(2,3)25-18(28)13-5-4-6-15(9-13)24-17(27)10-12-7-8-14(11-16(12)26)20(21,22)23/h4-9,11,26H,10H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXWUXJSIESYEASY-UHFFFAOYSA-N
XLogP4.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide (CID 139347840) is N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2ccc(C(F)(F)F)cc2O)c1.
What is the InChIKey of N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
The InChIKey is XWUXJSIESYEASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-19(2,3)25-18(28)13-5-4-6-15(9-13)24-17(27)10-12-7-8-14(11-16(12)26)20(21,22)23/h4-9,11,26H,10H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide?
N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide has a molecular weight of 394.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 139347840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).